AG01EOAA

Name: WAY-204688
Brand: Angene Chemical
SKU: AG01EOAA

796854-35-8 | WAY-204688

AG01EOAA

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CAS Number	796854-35-8
Catalog Number	AG01EOAA(AGN-PC-0UEWX4)
Chemical Name	WAY-204688
IUPAC Name	(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanenitrile
InChI	InChI=1S/C34H31F3N2O2/c1-33(22-38,32(40)39-19-17-23(18-20-39)25-11-7-12-26(21-25)34(35,36)37)31(29-14-5-6-16-30(29)41-2)28-15-8-10-24-9-3-4-13-27(24)28/h3-16,21,23,31H,17-20H2,1-2H3/t31-,33+/m0/s1
InChI Key	JZPONCMNBSEYQW-CQTOTRCISA-N
MDL Number	MFCD01817805
Molecular Formula	C34H31F3N2O2
Molecular Weight	556.6173
SMILES	C1C=CC([C@H](C2C3C=CC=CC=3C=CC=2)[C@](C#N)(C)C(=O)N2CCC(C3C=CC=C(C(F)(F)F)C=3)CC2)=C(OC)C=1
Synonyms	WAY-204688, CHEMBL238890, SCHEMBL4661495, BDBM50223515, CS-6666, NCGC00263019-01, 796854-35-8, HY-19498, (2S,3S)-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)-2-({4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)propanenitrile, CID9829162, CID 9829162,

Complexity	938
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	556.234g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	556.629g/mol
Monoisotopic Mass	556.234g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited